SCHEMBL29135299

SCHEMBL29135299

CCC(OC(C)=O)(OC(C)=O)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA7 P43166 1/20 0.30
CA14 Q9ULX7 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10940978 0.77 GAA (0.46) GAAALDH1A1LMNAHSD17B10
SCHEMBL5745064 0.75 GAA (0.42) DGAT1GAAALDH1A1LMNAHSD17B10
SCHEMBL9704412 0.75 GAA (0.39) GAAALDH1A1LMNAHSD17B10
Alcohol SCHEMBL21899723 0.74 GAA (0.48) DGAT1GAAALDH1A1LMNAHSD17B10
SCHEMBL6058802 0.73 GAA (0.38) GAAALDH1A1LMNAHSD17B10
SCHEMBL7590859 0.73 GAA (0.38) GAAALDH1A1LMNAHSD17B10
SCHEMBL28745990 0.72 GAA (0.50) DGAT1GAAALDH1A1LMNAHSD17B10
SCHEMBL28358909 0.72 GAA (0.50) DGAT1GAAALDH1A1LMNAHSD17B10
SCHEMBL26684 0.72
SCHEMBL28342310 0.72 GAA (0.50) DGAT1GAAALDH1A1LMNAHSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113454135-B Monomer recovery process 陶氏环球技术有限责任公司 2023-12-15 CN disclosed